![7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/333/333768-87-9.png)
7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 333768-87-9) is a chemical compound with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
Also Known As: 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(E)-but-2-enyl]-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione, (E)-7-(but-2-en-1-yl)-3-methyl-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, 7-((2E)but-2-enyl)-3-methyl-8-(1-methyl-2-oxopropylthio)-1,3,7-trihydropurine- 2,6-dione, 7-(2-butenyl)-3-methyl-8-[(1-methyl-2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H18N4O3S |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 1.069 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.10995 |
| Heavy Atoms | 22 |
| Complexity | 859.32074 |
Chemical Identifiers
| CAS Number | 333768-87-9 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C |
Product Overview
7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 333768-87-9), with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol. IUPAC: 7-[(E)-but-2-enyl]-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is 333768-87-9.
What is the molecular formula of 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is C14H18N4O3S.
What is the molecular weight of 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is 322.11 g/mol.
Where can I buy 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.